2-Hydroxy-3-isopropyl-6-methylbenzoic acid
- Product Name2-Hydroxy-3-isopropyl-6-methylbenzoic acid
- CAS548-51-6
- MFC11H14O3
- MW194.23
- EINECS208-949-4
- MOL File548-51-6.mol
Chemical Properties
| Melting point | 127-129 °C (lit.) |
| Boiling point | 290.67°C (rough estimate) |
| Density | 1.1130 (rough estimate) |
| refractive index | 1.5087 (estimate) |
| pka | 2.95±0.25(Predicted) |
| Water Solubility | >0.5g/L(temperature not stated) |
| Merck | 13,9485 |
| InChI | 1S/C11H14O3/c1-6(2)8-5-4-7(3)9(10(8)12)11(13)14/h4-6,12H,1-3H3,(H,13,14) |
| InChIKey | FNWNGQGTFICQJU-UHFFFAOYSA-N |
| SMILES | CC(C)c1ccc(C)c(C(O)=O)c1O |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39 |
| WGK Germany | 3 |
| RTECS | GZ6002990 |
| HazardClass | IRRITANT |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Toxicity | mouse,LD50,intraperitoneal,160mg/kg (160mg/kg),Farmaco, Edizione Scientifica. Vol. 20, Pg. 506, 1965. |